4-[5-(2,3-dichlorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C15H16Cl2N2O5S — CID 66558016

IUPAC4-[5-(2,3-dichlorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1cc(-c2cccc(Cl)c2Cl)on1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C15H16Cl2N2O5S/c1-15(14(20)18-21,25(2,22)23)7-6-9-8-12(24-19-9)10-4-3-5-11(16)13(10)17/h3-5,8,21H,6-7H2,1-2H3,(H,18,20)
InChIKeyCVXUCGSXHDPRDD-UHFFFAOYSA-N
MW407.28 g/mol
LogP2.89
Rot. Bonds6

About 4-[5-(2,3-dichlorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

4-[5-(2,3-dichlorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 66558016) has the molecular formula C15H16Cl2N2O5S and a molecular weight of 407.28 g/mol. Its IUPAC name is 4-[5-(2,3-dichlorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[5-(2,3-dichlorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID66558016
Molecular FormulaC15H16Cl2N2O5S
Molecular Weight407.28 g/mol
Exact Mass406.02
IUPAC Name4-[5-(2,3-dichlorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCc1cc(-c2cccc(Cl)c2Cl)on1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C15H16Cl2N2O5S/c1-15(14(20)18-21,25(2,22)23)7-6-9-8-12(24-19-9)10-4-3-5-11(16)13(10)17/h3-5,8,21H,6-7H2,1-2H3,(H,18,20)
InChIKeyCVXUCGSXHDPRDD-UHFFFAOYSA-N
XLogP2.89
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,3-dichlorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[5-(2,3-dichlorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 66558016) is 4-[5-(2,3-dichlorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[5-(2,3-dichlorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[5-(2,3-dichlorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCc1cc(-c2cccc(Cl)c2Cl)on1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[5-(2,3-dichlorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is CVXUCGSXHDPRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O5S/c1-15(14(20)18-21,25(2,22)23)7-6-9-8-12(24-19-9)10-4-3-5-11(16)13(10)17/h3-5,8,21H,6-7H2,1-2H3,(H,18,20).
What are the key properties of 4-[5-(2,3-dichlorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[5-(2,3-dichlorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 407.28 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2,3-dichlorophenyl)-1,2-oxazol-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 66558016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).